SCHEMBL10201506

SCHEMBL10201506

CB(O)N1CC2CCC(C1)N2c1ccc(N)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
PIK3CA P42336 6/20 0.33
MTOR P42345 6/20 0.33
OPRM1 P35372 1/20 0.32
TNKS O95271 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
GCKR Q14397 4/20 0.31
F10 P00742 1/20 0.31
ALOX5AP P20292 1/20 0.30
PIM1 P11309 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL611573 0.81 OPRM1 (0.45) CHRNB2CHRNA4PIK3CAMTOROPRM1
SCHEMBL10201516 0.78 MAPT (0.50) CHRNB2CHRNA4
SCHEMBL23089116 0.75 CHRNB2 (0.44) CHRNB2CHRNA4PIK3CAMTORALOX5AP
SCHEMBL23089117 0.75 CHRNB2 (0.44) CHRNB2CHRNA4PIK3CAMTORALOX5AP
SCHEMBL23089115 0.75 CHRNB2 (0.44) CHRNB2CHRNA4PIK3CAMTORALOX5AP
SCHEMBL20037601 0.73 CHRNB2 (0.49) CHRNB2CHRNA4PIK3CAMTOROPRM1
SCHEMBL17796315 0.73 MTOR (0.46) CHRNB2CHRNA4PIK3CAMTOR
SCHEMBL609627 0.72 GPR119 (0.48) PIK3CAMTORALOX5AP
SCHEMBL30512307 0.72 GPR119 (0.48) PIK3CAMTORALOX5AP
SCHEMBL31073126 0.70 CHRNB2 (0.39) CHRNB2CHRNA4PIK3CAMTOROPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN CHRNB2 4010/4885CHRNA4 3568/4885PIK3CA 177/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CHRNB2 4010/4885CHRNA4 3568/4885PIK3CA 177/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.